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NCID-ZINC01757929

 MMsINC code: MMs02365668
Type: Neutral
Formula: C11H17N3O4
SMILES:   O=C1NC(=O)NC(=C1)CNCCCCCC(O)=O
InChI:   InChI=1/C11H17N3O4/c15-9-6-8(13-11(18)14-9)7-12-5-3-1-2-4-10(16)17/h6,12H,1-5,7H2,(H,16,17)(H2,13,14,15,18)

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Potential Energy
Epot(MMFF94)=-24.8625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.274 g/mol  logS: -0.96186  SlogP: -0.0557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0381415  Sterimol/B1: 2.48074  Sterimol/B2: 2.85849  Sterimol/B3: 3.80824
  Sterimol/B4: 5.31204  Sterimol/L: 17.6434 
 
 Surface and Volume Properties
  Accessible surface: 502.856  Positive charged surface: 343.364  Negative charged surface: 159.492  Volume: 234.25
  Hydrophobic surface: 228.047  Hydrophilic surface: 274.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.